@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445941
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     8.4559    -5.5719     0.8972	Br	1	noname	-0.0435
2	C1     9.4759    -6.0748    -0.5857	C.2	1	noname	0.1065
3	C2    10.8930    -6.0948    -0.5197	C.2	1	noname	0.1483
4	C3     8.8639    -6.4598    -1.7907	C.2	1	noname	-0.0182
5	O1    11.4889    -5.7548     0.5313	O.2	1	noname	-0.2571
6	N1    11.5930    -6.4968    -1.6417	N.3	1	noname	-0.0822
7	N2     7.4748    -6.4688    -1.9697	N.3	1	noname	-0.1263
8	C4     9.6768    -6.8578    -2.8687	C.2	1	noname	0.0439
9	N3    10.9839    -6.8467    -2.7207	N.2	1	noname	-0.1916
10	C5    12.9519    -6.5397    -1.6666	C.2	1	noname	-0.0078
11	C6     6.5457    -7.5838    -2.1616	C.3	1	noname	0.0145
12	C7     6.5107    -5.3777    -2.1336	C.3	1	noname	0.0145
13	C8    13.6529    -7.5217    -0.9375	C.2	1	noname	-0.0186
14	C9    13.6739    -5.6016    -2.4336	C.2	1	noname	-0.0186
15	C10     5.4746    -6.4957    -2.2946	C.3	1	noname	0.0433
16	C11    15.0580    -7.5606    -0.9695	C.2	1	noname	-0.0491
17	C12    15.0779    -5.6406    -2.4655	C.2	1	noname	-0.0491
18	C13     4.5156    -6.4957    -3.4826	C.3	1	noname	0.0570
19	C14     4.2446    -6.5257    -1.3885	C.3	1	noname	0.0570
20	C15    15.7699    -6.6206    -1.7325	C.2	1	noname	-0.0512
21	O2     3.4295    -6.5256    -2.5595	O.3	1	noname	-0.3797
22	H1     9.2618    -7.1457    -3.7546	H	1	noname	0.0870
23	H2     6.7227    -8.1827    -3.0556	H	1	noname	0.0442
24	H3     6.4447    -8.2507    -1.3056	H	1	noname	0.0442
25	H4     6.3746    -4.7256    -1.2716	H	1	noname	0.0442
26	H5     6.6697    -4.7566    -3.0166	H	1	noname	0.0442
27	H6    13.1409    -8.2076    -0.3815	H	1	noname	0.0640
28	H7    13.1759    -4.8886    -2.9676	H	1	noname	0.0640
29	H8    15.5599    -8.2726    -0.4385	H	1	noname	0.0623
30	H9    15.5949    -4.9585    -3.0205	H	1	noname	0.0623
31	H10     4.5805    -7.3677    -4.1346	H	1	noname	0.0574
32	H11     4.5505    -5.6036    -4.1096	H	1	noname	0.0574
33	H12     4.1155    -5.6526    -0.7484	H	1	noname	0.0574
34	H13     4.1435    -7.4157    -0.7675	H	1	noname	0.0574
35	H14    16.7899    -6.6486    -1.7544	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	22	1
14	10	13	2
15	10	14	1
16	11	15	1
17	11	23	1
18	11	24	1
19	12	15	1
20	12	25	1
21	12	26	1
22	13	16	1
23	13	27	1
24	14	17	2
25	14	28	1
26	15	18	1
27	15	19	1
28	16	20	2
29	16	29	1
30	17	20	1
31	17	30	1
32	18	21	1
33	18	31	1
34	18	32	1
35	19	21	1
36	19	33	1
37	19	34	1
38	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1